4-[5-(4-methylphenyl)-3-piperidin-4-ylsulfanyl-1H-pyrazol-4-yl]pyrimidine

Systemtic Name: 4-[5-(4-methylphenyl)-3-piperidin-4-ylsulfanyl-1H-pyrazol-4-yl]pyrimidine Openeye Name: 4-[3-(4-piperidylsulfanyl)-5-(p-tolyl)-1H-pyrazol-4-yl]pyrimidine CAS Name: 4-[5-(4-methylphenyl)-3-(4-piperidinylthio)-1H-pyrazol-4-yl]pyrimidine IUPAC Name: 4-[5-(4-methylphenyl)-3-piperidin-4-ylsulfanyl-1H-pyrazol-4-yl]pyrimidine Traditional Name: 4-[3-(4-piperidylthio)-5-(p-tolyl)-1H-pyrazol-4-yl]pyrimidine Formula: C19H21N5S MolecularWeight: 351.46854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NN2)SC3CCNCC3)C4=NC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NN2)SC3CCNCC3)C4=NC=NC=C4

InChI

InChI=1S/C19H21N5S/c1-13-2-4-14(5-3-13)18-17(16-8-11-21-12-22-16)19(24-23-18)25-15-6-9-20-10-7-15/h2-5,8,11-12,15,20H,6-7,9-10H2,1H3,(H,23,24)